SCHEMBL481590

SCHEMBL481590

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(Br)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.41
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
NR1H2 P55055 8/20 0.35
USP30 Q70CQ3 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
SOS1 Q07889 1/20 0.34
NR1H3 Q13133 3/20 0.34
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
AURKA O14965 1/20 0.32
CDK2 P24941 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL482970 0.91 BACE1 (0.35) BACE1CCNB2CDK1CCNB1GSK3B
SCHEMBL14920239 0.91 BACE1 (0.41) BACE1CCNB2CDK1CCNB1GSK3B
SCHEMBL29967119 0.89 BACE1 (0.38) BACE1CCNB2CDK1CCNB1GSK3B
SCHEMBL28877791 0.89 BACE1 (0.38) BACE1CCNB2CDK1CCNB1GSK3B
SCHEMBL6120980 0.86 BACE1 (0.40) BACE1CCNB2CDK1CCNB1GSK3B
SCHEMBL31431751 0.86 NR1H2 (0.39) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL31123199 0.85 GCGR (0.40) BACE1GABRG2GABRB3GABRA5USP30
SCHEMBL482090 0.84 GABRG2 (0.36) BACE1GABRG2GABRB3GABRA5NR1H2
SCHEMBL10299255 0.83 L3MBTL1 (0.45) NR1H2NR1H3
SCHEMBL3756850 0.81 CCNB2 (0.41) BACE1CCNB2CDK1CCNB1GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773641-B1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2017-09-27 EP disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-9481677-B2 Biaryl ether sulfonamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-01 US disclosed
US-9365578-B2 2016-06-14 US disclosed
US-20140256736-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2014-09-11 US disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140256736-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS TRPV1, TRPV3, TRPV2 BACE1 2265/4885CCNB2 4087/4885CDK1 4253/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA BACE1 2065/4885CCNB2 1489/4885CDK1 404/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 BACE1 1892/4885CCNB2 1249/4885CDK1 323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.